SCHEMBL9201156

SCHEMBL9201156

NC(=N[N+](=O)[O-])C(N)CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.53
▸ CNR2 P34972 6/20 0.53
▸ NPY1R P25929 11/20 0.44
▸ NPY5R Q15761 4/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ NPFFR1 Q9GZQ6 2/20 0.42
▸ NPFFR2 Q9Y5X5 2/20 0.42
▸ NPY2R P49146 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9201150 1.00 CNR1 (0.53) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL9198192 0.91 NPY1R (0.43) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL9198176 0.91 NPY1R (0.43) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL9203180 0.85 NPY1R (0.62) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9203188 0.85 NPY1R (0.62) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL9195779 0.84 CNR1 (0.46) CNR1CNR2NPY1R
SCHEMBL9195767 0.84 CNR1 (0.46) CNR1CNR2NPY1R
SCHEMBL9201204 0.83 NPY1R (0.49) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL9201213 0.83 NPY1R (0.49) CNR1CNR2NPY1RNPY5RNPY4R
SCHEMBL9199479 0.83 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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